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PUBCHEM-ZINC00356130

 MMsINC code: MMs02661908
Type: Neutral
Formula: C12H18F6N2O
SMILES:   FC(F)(F)C(NC(=O)NC1CCCCC1)(CC)C(F)(F)F
InChI:   InChI=1/C12H18F6N2O/c1-2-10(11(13,14)15,12(16,17)18)20-9(21)19-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.2465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.277 g/mol  logS: -3.77043  SlogP: 4.7315  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0977742  Sterimol/B1: 2.46731  Sterimol/B2: 3.05047  Sterimol/B3: 4.0743
  Sterimol/B4: 6.25321  Sterimol/L: 13.9886 
 
 Surface and Volume Properties
  Accessible surface: 479.392  Positive charged surface: 266.74  Negative charged surface: 212.652  Volume: 253
  Hydrophobic surface: 272.443  Hydrophilic surface: 206.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.